N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide

C26H37N3O4S — CID 55381458

IUPACN-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide
SMILESO=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H37N3O4S/c30-24(8-9-27-25(31)26-15-20-12-21(16-26)14-22(13-20)17-26)28-18-19-4-6-23(7-5-19)34(32,33)29-10-2-1-3-11-29/h4-7,20-22H,1-3,8-18H2,(H,27,31)(H,28,30)
InChIKeySSXNHEXSSKSZHN-UHFFFAOYSA-N
MW487.67 g/mol
LogP3.20
Rot. Bonds8

About N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide

N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide (PubChem CID 55381458) has the molecular formula C26H37N3O4S and a molecular weight of 487.67 g/mol. Its IUPAC name is N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide
PubChem CID55381458
Molecular FormulaC26H37N3O4S
Molecular Weight487.67 g/mol
Exact Mass487.25
IUPAC NameN-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide
SMILESO=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H37N3O4S/c30-24(8-9-27-25(31)26-15-20-12-21(16-26)14-22(13-20)17-26)28-18-19-4-6-23(7-5-19)34(32,33)29-10-2-1-3-11-29/h4-7,20-22H,1-3,8-18H2,(H,27,31)(H,28,30)
InChIKeySSXNHEXSSKSZHN-UHFFFAOYSA-N
XLogP3.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
3-(phenylcarbamoylamino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55737130
N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide
CID 46483108
N-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]adamantane-1-carboxamide
CID 27508752
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
7-amino-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]heptanamide;hydrochloride
CID 119690920
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 55634285
1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 51273906
4-(3,4-dimethylphenyl)-4-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]butanamide
CID 108736257
N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 4272952
N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]adamantane-1-carboxamide
CID 54787521

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide (CID 55381458) is N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide is O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide?
The InChIKey is SSXNHEXSSKSZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4S/c30-24(8-9-27-25(31)26-15-20-12-21(16-26)14-22(13-20)17-26)28-18-19-4-6-23(7-5-19)34(32,33)29-10-2-1-3-11-29/h4-7,20-22H,1-3,8-18H2,(H,27,31)(H,28,30).
What are the key properties of N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide?
N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide has a molecular weight of 487.67 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]adamantane-1-carboxamide is sourced from PubChem (CID 55381458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).